Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H28N2O5.C4H4O4 |
Molecular Weight | 492.5189 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(O)=O
InChI
InChIKey=OYFJQPXVCSSHAI-QFPUQLAESA-N
InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17-;/m0./s1
Molecular Formula | C20H28N2O5 |
Molecular Weight | 376.4467 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:05:07 UTC 2023
by
admin
on
Fri Dec 15 15:05:07 UTC 2023
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Record UNII |
9O25354EPJ
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C247
Created by
admin on Fri Dec 15 15:05:07 UTC 2023 , Edited by admin on Fri Dec 15 15:05:07 UTC 2023
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FDA ORPHAN DRUG |
376712
Created by
admin on Fri Dec 15 15:05:07 UTC 2023 , Edited by admin on Fri Dec 15 15:05:07 UTC 2023
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Code System | Code | Type | Description | ||
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76095-16-4
Created by
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278-375-7
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5388961
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76095-16-4
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9O25354EPJ
Created by
admin on Fri Dec 15 15:05:07 UTC 2023 , Edited by admin on Fri Dec 15 15:05:07 UTC 2023
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m4893
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admin on Fri Dec 15 15:05:07 UTC 2023 , Edited by admin on Fri Dec 15 15:05:07 UTC 2023
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PRIMARY | Merck Index | ||
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758143
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1235300
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9O25354EPJ
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C468
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100000091343
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DBSALT001036
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SUB01884MIG
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203123
Created by
admin on Fri Dec 15 15:05:07 UTC 2023 , Edited by admin on Fri Dec 15 15:05:07 UTC 2023
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CHEMBL578
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DTXSID30896796
Created by
admin on Fri Dec 15 15:05:07 UTC 2023 , Edited by admin on Fri Dec 15 15:05:07 UTC 2023
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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ACTIVE MOIETY |